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2960-94-3 | 2-Anthracenecarboxylic acid, 9,10-dihydro-1,5,6,8-tetrahydroxy-3-methyl-9,10-dioxo-
CAS No: 2960-94-3 Catalog No: AG002YV7 MDL No:
Product Description
Catalog Number:
AG002YV7
Chemical Name:
2-Anthracenecarboxylic acid, 9,10-dihydro-1,5,6,8-tetrahydroxy-3-methyl-9,10-dioxo-
CAS Number:
2960-94-3
Molecular Formula:
C16H10O8
Molecular Weight:
330.2458
IUPAC Name:
1,5,6,8-tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
InChI:
InChI=1S/C16H10O8/c1-4-2-5-9(14(21)8(4)16(23)24)15(22)10-6(17)3-7(18)13(20)11(10)12(5)19/h2-3,17-18,20-21H,1H3,(H,23,24)
InChI Key:
REDGYIBZSZFWKD-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)cc2c(c1O)C(=O)c1c(C2=O)c(O)c(cc1O)O
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.038g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
330.248g/mol
Monoisotopic Mass:
330.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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